Chemical Properties of trans-Cinnamamide, N-(4-fluorophenyl)-3-trifluoromethyl-

trans-Cinnamamide, N-(4-fluorophenyl)-3-trifluoromethyl-

InChI
InChI=1S/C16H11F4NO/c17-13-5-7-14(8-6-13)21-15(22)9-4-11-2-1-3-12(10-11)16(18,19)20/h1-10H,(H,21,22)/b9-4+
InChI Key
UTZMZDANOHXJIL-RUDMXATFSA-N
Formula
C16H11F4NO
SMILES
O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1
Molecular Weight1
309.26
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Physical Properties

Property Value Unit Source
ΔfusH° 36.31 kJ/mol Joback Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 4.496 Crippen Calculated Property
McVol 203.110 ml/mol McGowan Calculated Property
Inp 2244.00 NIST
Tfus 409.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [269.93; 626.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.90100e+01
Coefficient B1.48820e+00
Coefficient C-1.12602e-03
Coefficient D3.23560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 269.93 J/mol×K 273.00 Calculated Property
Cp,gas 340.88 J/mol×K 353.78 Calculated Property
Cp,gas 401.61 J/mol×K 434.56 Calculated Property
Cp,gas 453.15 J/mol×K 515.33 Calculated Property
Cp,gas 496.53 J/mol×K 596.11 Calculated Property
Cp,gas 532.77 J/mol×K 676.89 Calculated Property
Cp,gas 562.88 J/mol×K 757.67 Calculated Property
Cp,gas 587.90 J/mol×K 838.44 Calculated Property
Cp,gas 608.84 J/mol×K 919.22 Calculated Property
Cp,gas 626.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-Cinnamamide, N-(3-chlorophenyl)-3-trifluoromethyl-. trans-Cinnamamide, N-(4-methoxyphenyl)-3-trifluoromethyl-. trans-Cinnamamide, N-(3-methylphenyl)-3-trifluoromethyl-. trans-Cinnamamide, N-ethyl-N-(3-methylphenyl)-3-trifluoromethyl-. 3'-dihydrocinnamoylindicine. Spiperone. N-Acetylnornarcotine. 3'-cis-cinnamoylindicine. 3'-trans-cinnamoylindicine. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. 7-Angeloyl-1-formyl-6,7-dihydro-5H-pyrrolizine. Nomifemsine M(HO), diacetylated, isomer # 2. Methyldihydromorphine. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline.

Find more compounds similar to trans-Cinnamamide, N-(4-fluorophenyl)-3-trifluoromethyl-.

Sources

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